SCHEMBL11607016

SCHEMBL11607016

O=C(Nc1cccc(Br)c1)c1cc(Br)c(Br)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ P2RX1 P51575 1/20 0.52
▸ GRM5 P41594 2/20 0.49
▸ DAO P14920 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TGM2 P21980 1/20 0.49
▸ EGFR P00533 1/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MMP2 P08253 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11606613 0.84 DAO (0.53) MEN1KMT2ADAOMMP2
SCHEMBL11607985 0.83 MMP2 (0.57) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL29176354 0.78 NPC1 (0.58) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL29176335 0.78 NPC1 (0.74) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL11609706 0.77 MMP2 (0.73) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL31265765 0.77 NPC1 (0.64) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL11611110 0.77 NPC1 (0.48) MEN1KMT2ANPC1RAB9ADAO
SCHEMBL22191811 0.76 MEN1 (0.78) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL11605284 0.75 MMP2 (0.56) MEN1KMT2AP2RX1DAOALDH1A1
SCHEMBL31265783 0.74 KMT2A (0.57) MEN1KMT2ANPC1RAB9ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4046775-A 4,5-Dihalopyrrole-2-carboxamides STERLING DRUG INC. (US) 1977-09-06 — — US claimed
US-4084051-A BACTERICIDES, HERBICIDES STERLING DRUG INC. (US) 1978-04-11 — — US disclosed
US-4046775-A 4,5-Dihalopyrrole-2-carboxamides STERLING DRUG INC. (US) 1977-09-06 — — US disclosed
US-3963480-A Herbicidal pyrrole-2-carboxamides STERLING DRUG INC. (US) 1976-06-15 — — US disclosed
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